N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

C24H33N3O3 — CID 55691057

IUPACN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H33N3O3/c1-18(25-22(28)13-12-19-8-4-2-5-9-19)23(29)26-21-14-16-27(17-15-21)24(30)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,18,20-21H,3,6-7,10-11,14-17H2,1H3,(H,25,28)(H,26,29)/b13-12+
InChIKeyYBQJMBZLJOMLBJ-OUKQBFOZSA-N
MW411.55 g/mol
LogP2.89
Rot. Bonds6

About N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (PubChem CID 55691057) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
PubChem CID55691057
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
SMILESCC(NC(=O)/C=C/c1ccccc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C24H33N3O3/c1-18(25-22(28)13-12-19-8-4-2-5-9-19)23(29)26-21-14-16-27(17-15-21)24(30)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,18,20-21H,3,6-7,10-11,14-17H2,1H3,(H,25,28)(H,26,29)/b13-12+
InChIKeyYBQJMBZLJOMLBJ-OUKQBFOZSA-N
XLogP2.89
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2S)-1-[2-(cyclohexanecarbonyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9327221
N-(4-hydroxycyclohexyl)-2-(3-phenylprop-2-enoylamino)propanamide
CID 110877650
2-methyl-N-[1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidin-4-yl]benzamide
CID 55689247
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
N-[(2R)-1-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51964853
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940575
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-methyl-2-(3-phenylprop-2-enoylamino)propanamide
CID 75266241
N-cyclopropyl-3-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoylamino]benzamide
CID 55440201
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021
ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate
CID 51162077
N-(4-acetamidophenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51160433

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide (CID 55691057) is N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is CC(NC(=O)/C=C/c1ccccc1)C(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
The InChIKey is YBQJMBZLJOMLBJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18(25-22(28)13-12-19-8-4-2-5-9-19)23(29)26-21-14-16-27(17-15-21)24(30)20-10-6-3-7-11-20/h2,4-5,8-9,12-13,18,20-21H,3,6-7,10-11,14-17H2,1H3,(H,25,28)(H,26,29)/b13-12+.
What are the key properties of N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide?
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide has a molecular weight of 411.55 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 55691057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).